8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[7-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[7-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(7-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-quinoline-3-carboxylic acid Formula: C29H23F3N2O6S MolecularWeight: 584.56293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C(=CC(=C3)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC(F)F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C(=CC(=C3)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC(F)F)F

InChI

InChI=1S/C29H23F3N2O6S/c1-15-2-6-19(7-3-15)41(38,39)33-12-17-10-16(11-24(30)22(17)13-33)20-8-9-21-25(27(20)40-29(31)32)34(18-4-5-18)14-23(26(21)35)28(36)37/h2-3,6-11,14,18,29H,4-5,12-13H2,1H3,(H,36,37)